5-[2-(ethylsulfanylmethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine

C10H14N4OS3 — CID 82440671

IUPAC5-[2-(ethylsulfanylmethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
SMILESCCSCc1nc(COC)c(-c2nnc(N)s2)s1
InChIInChI=1S/C10H14N4OS3/c1-3-16-5-7-12-6(4-15-2)8(17-7)9-13-14-10(11)18-9/h3-5H2,1-2H3,(H2,11,14)
InChIKeyATJCIFJDQJOKMI-UHFFFAOYSA-N
MW302.45 g/mol
LogP2.64
Rot. Bonds6

About 5-[2-(ethylsulfanylmethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine

5-[2-(ethylsulfanylmethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 82440671) has the molecular formula C10H14N4OS3 and a molecular weight of 302.45 g/mol. Its IUPAC name is 5-[2-(ethylsulfanylmethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-(ethylsulfanylmethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
PubChem CID82440671
Molecular FormulaC10H14N4OS3
Molecular Weight302.45 g/mol
Exact Mass302.03
IUPAC Name5-[2-(ethylsulfanylmethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
SMILESCCSCc1nc(COC)c(-c2nnc(N)s2)s1
InChIInChI=1S/C10H14N4OS3/c1-3-16-5-7-12-6(4-15-2)8(17-7)9-13-14-10(11)18-9/h3-5H2,1-2H3,(H2,11,14)
InChIKeyATJCIFJDQJOKMI-UHFFFAOYSA-N
XLogP2.64
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[2-(ethylsulfanylmethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine with MolForge

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Related Compounds

5-[2-(2-methoxyethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82440063
1-[2-(ethylsulfanylmethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82440651
5-[4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82439824
5-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82425677
N-[[2-(ethylsulfanylmethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine
CID 82440660
5-[2-[(dimethylamino)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82435187
5-(4-methyl-2-pentan-3-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82426676
4-(methoxymethyl)-2-(propylsulfanylmethyl)-1,3-thiazole-5-carbonitrile
CID 82440714
5-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82432451
5-[2-(diethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82427843
4-[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82432860
2-[4-tert-butyl-2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]propan-2-amine
CID 82438829

Frequently Asked Questions

What is the IUPAC name of 5-[2-(ethylsulfanylmethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-(ethylsulfanylmethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine (CID 82440671) is 5-[2-(ethylsulfanylmethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-(ethylsulfanylmethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-(ethylsulfanylmethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine is CCSCc1nc(COC)c(-c2nnc(N)s2)s1.
What is the InChIKey of 5-[2-(ethylsulfanylmethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is ATJCIFJDQJOKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS3/c1-3-16-5-7-12-6(4-15-2)8(17-7)9-13-14-10(11)18-9/h3-5H2,1-2H3,(H2,11,14).
What are the key properties of 5-[2-(ethylsulfanylmethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine?
5-[2-(ethylsulfanylmethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 302.45 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(ethylsulfanylmethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82440671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).